Crystallography Open Database

Information card for entry 4506543

Preview

Coordinates	4506543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H60 N10 O24 Zn3
Calculated formula	C38 H60 N10 O24 Zn3
Title of publication	Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units
Authors of publication	Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	4170
a	11.1267 ± 0.0006 Å
b	12.8597 ± 0.0007 Å
c	21.0138 ± 0.0014 Å
α	90°
β	119.836 ± 0.004°
γ	90°
Cell volume	2608.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179601 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/65.	4506543.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506543.cif
66210	2012-09-09	cif/ Adding structures of 4506543, 4506544, 4506545, 4506546, 4506547, 4506548 via cif-deposit CGI script.	4506543.cif